Figure 4

Unbiased refinement of the solution structure of imunoglobulin binding domain of protein G. Parameters used for restraint generation are the same as shown in Table 1 and Table 2. A: NMR structure (10 monomers of the dimeric structures). 2948 distance, 260 angle and 41 hydrogen bond restraints were obtained (R₁*). The RMSD is 0.022 nm. The Ramachandran plot delivers 90% in most favored regions and 10% in additional allowed regions. B: Single monomeric X-ray structure. 1888 distance and 243 angle restraints were obtained for generation of the X-ray structure bundle (C). C: X-ray structure bundle (created as described in the materials and methods section). 2762 distance, 241 angle and 45 hydrogen bond restraints were obtained (R₂*). D: 10 final refined structures obtained using the ISIC algorithm (restraint combination of A and C, 2948 distance, 224 angle and 26 hydrogen bond restraints were obtained). The RMSD is 0.008 nm for the backbone atoms. The Ramachandran plot delivers 92% in most favored regions and 8% in additional allowed regions.